4323-7159 Screening compound: propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

4323-7159 Screening compound: propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
4323-7159 Screening compound: propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4323-7159
propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4323-7159

Molecular Formula

C26H29NO5S (C26 H29 NO5 S)

Compound Name

propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propan-2-yl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc(cc(C1C(C(CC(C2)c3cccs3)=O)=C2NC(C)=C1C(OC(C)C)=O)cc1)c1O

InChI

InChI=1S/C26H29NO5S/c1-5-31-21-13-16(8-9-19(21)28)24-23(26(30)32-14(2)3)15(4)27-18-11-17(12-20(29)25(18)24)22-7-6-10-33-22/h6-10,13-14,17,24,27-28H,5,11-12H2,1-4H3

InChI Key

HQCZLNOZLWCISF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02868505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.765

Distribution Coefficient, logD

0.419

Water Solubility, LogSw

-4.26

Polar Surface Area

68.859

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.50

4323-7159 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4323-7159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4323-7159?
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What is the minimum amount of 4323-7159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4323-7159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4323-7159
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4323-7159 available by request